1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide

C12H14N4O — CID 105406365

IUPAC1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide
SMILESCc1ccc(CN)cc1-n1ccc(C(N)=O)n1
InChIInChI=1S/C12H14N4O/c1-8-2-3-9(7-13)6-11(8)16-5-4-10(15-16)12(14)17/h2-6H,7,13H2,1H3,(H2,14,17)
InChIKeyPTFIFVYWVCIWKD-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.74
Rot. Bonds3

About 1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide

1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide (PubChem CID 105406365) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide
PubChem CID105406365
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide
SMILESCc1ccc(CN)cc1-n1ccc(C(N)=O)n1
InChIInChI=1S/C12H14N4O/c1-8-2-3-9(7-13)6-11(8)16-5-4-10(15-16)12(14)17/h2-6H,7,13H2,1H3,(H2,14,17)
InChIKeyPTFIFVYWVCIWKD-UHFFFAOYSA-N
XLogP0.74
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64782497
1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide
CID 64782828
1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide
CID 107105885
1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]pyrazole-3-carboxamide
CID 107542386
1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64780215
1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide
CID 64782681
1-(5-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 28973980
1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide
CID 80867928
1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
1-[6-(aminomethyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 115487131
[4-methyl-3-(triazol-2-yl)phenyl]methanamine
CID 84661540
1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrazole-3-carboxamide
CID 79905298

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide (CID 105406365) is 1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide is Cc1ccc(CN)cc1-n1ccc(C(N)=O)n1.
What is the InChIKey of 1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide?
The InChIKey is PTFIFVYWVCIWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-2-3-9(7-13)6-11(8)16-5-4-10(15-16)12(14)17/h2-6H,7,13H2,1H3,(H2,14,17).
What are the key properties of 1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide?
1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 105406365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).